SCHEMBL3241606

SCHEMBL3241606

Cc1nc(-c2ccccc2C)c(C(N)=O)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
CDC7 O00311 4/20 0.42
DBF4 Q9UBU7 4/20 0.42
CCNE1 P24864 3/20 0.41
CDK2 P24941 3/20 0.41
RAB9A P51151 2/20 0.41
NTRK1 P04629 1/20 0.41
RECQL P46063 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
ADORA2A P29274 1/20 0.40
ATP4A P20648 2/20 0.39
ATP4B P51164 2/20 0.39
SLC9A1 P19634 1/20 0.39
LIMK1 P53667 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL405454 0.87 HPGD (0.47) JAK2JAK1TYK2JAK3CDC7
SCHEMBL406740 0.81 CDC7 (0.54) CDC7DBF4RAB9AHPGDNPC1
SCHEMBL956697 0.80 CDC7 (0.61) IKBKBCDC7DBF4CCNE1CDK2
SCHEMBL406295 0.76 ADORA2A (0.47) JAK2JAK1TYK2JAK3RAB9A
SCHEMBL19320740 0.73 ALDH1A1 (0.42) IKBKBRAB9AHPGDNPC1MAPT
SCHEMBL8823141 0.72 KMT2A (0.52) CDC7DBF4RAB9ANTRK1RECQL
SCHEMBL1586157 0.72 CDC7 (0.46) CDC7DBF4RAB9ANTRK1RECQL
SCHEMBL27467544 0.72 DPP4 (0.40) CDC7DBF4RAB9ANTRK1RECQL
SCHEMBL4761846 0.71 PTGS2 (0.54) IKBKBJAK2CDC7DBF4CCNE1
SCHEMBL27739994 0.71 BCAT2 (0.44) JAK2RAB9ANTRK1HPGDNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
WO-2010051549-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-05-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 IKBKB 217/4885JAK2 1/4885JAK1 2/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 IKBKB 217/4885JAK2 1/4885JAK1 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.